2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile

C11H11N5OS2 — CID 95920792

IUPAC2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile
SMILESN#CCSc1ncnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C11H11N5OS2/c12-1-6-18-10-8-9(13-7-14-10)15-11(19-8)16-2-4-17-5-3-16/h7H,2-6H2
InChIKeyZJHYWUAVJYZRAV-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.54
Rot. Bonds3

About 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile

2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile (PubChem CID 95920792) has the molecular formula C11H11N5OS2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile
PubChem CID95920792
Molecular FormulaC11H11N5OS2
Molecular Weight293.38 g/mol
Exact Mass293.04
IUPAC Name2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile
SMILESN#CCSc1ncnc2nc(N3CCOCC3)sc12
InChIInChI=1S/C11H11N5OS2/c12-1-6-18-10-8-9(13-7-14-10)15-11(19-8)16-2-4-17-5-3-16/h7H,2-6H2
InChIKeyZJHYWUAVJYZRAV-UHFFFAOYSA-N
XLogP1.54
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 95920798
4-([1,3]thiazolo[4,5-d]pyrimidin-2-yl)morpholine
CID 123685077
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]ethanone
CID 52999540
4-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,4-oxazepane
CID 139355711
N-(4-methoxyphenyl)-2-[(2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 52999583
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carbonitrile
CID 21319839
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
N-[(2-chlorophenyl)methyl]-2-[(2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 52999533
2-[[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53073774
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbonitrile
CID 82433394
2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine
CID 118224190
ethyl 4-[[2-[(2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetyl]amino]benzoate
CID 52999568

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile (CID 95920792) is 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile is N#CCSc1ncnc2nc(N3CCOCC3)sc12.
What is the InChIKey of 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile?
The InChIKey is ZJHYWUAVJYZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS2/c12-1-6-18-10-8-9(13-7-14-10)15-11(19-8)16-2-4-17-5-3-16/h7H,2-6H2.
What are the key properties of 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile?
2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile has a molecular weight of 293.38 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 95920792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).